arXiv subjects

Vladimir V. Mazurenko

Publications and source records attributed to Vladimir V. Mazurenko.

24 records · Page 2Linked to original sources

arXiv2018

Nanoskyrmion engineering with $sp$-electron materials: Sn monolayer on SiC(0001) surface

Materials with $sp$-magnetism demonstrate strongly nonlocal Coulomb interactions, which opens a way to probe correlations in the regimes not achievable in transition metal compounds. By the example of Sn monolayer on SiC(0001) surface, we show that such systems exhibit unusual but intriguing magnetic properties at the nanoscale. Physically, this is attributed to the presence of a significant ferromagnetic coupling, the so-called direct exchange, which fully compensates ubiquitous antiferromagnetic interactions of the superexchange origin. Having a nonlocal nature, the direct exchange was previously ignored because it cannot be captured within the conventional density functional methods and significantly challenges ground state models earlier proposed for Sn/SiC(0001). Furthermore, heavy adatoms induce strong spin-orbit coupling, which leads to a highly anisotropic form of the spin Hamiltonian, in which the Dzyaloshinskii-Moriya interaction is dominant. The latter is suggested to be responsible for the formation of a nanoskyrmion state at realistic magnetic fields and temperatures.

cond-mat.str-el↗

arXiv2018

First-principles study of magnetic interactions in FeGe

We theoretically study the magnetic properties of iron germanium, known as one of canonical helimagnets. For this purpose we use the real-space spin Hamiltonian and micromagnetic model, derived in terms of Andersen's "local force theorem", to describe the low-lying magnetic excitations via spin-polarized Green's function, obtained from the first-principles calculations. The model was designed to numerically evaluate the spin stiffness constant in reciprocal space, in order for assessment of the contributing itinerant mechanisms. The calculated pairwise exchange interactions reveal the essentiality of Ruderman-Kittel-Kasuya-Yoshida coupling in FeGe. Thus provided mean-field estimation of magnetic transition temperature agrees good with the experimental measurement, underlining the necessity of the comprehensive real/reciprocal space-based approach for a proper description of magnetic excitations in FeGe.

cond-mat.str-el↗

arXiv2017

Exact diagonalization solver for the extended dynamical mean-field theory

We present an efficient exact diagonalization scheme for the extended dynamical mean-field theory and apply it to the extended Hubbard model on the square lattice with nonlocal charge-charge interactions. Our solver reproduces the phase diagram of this approximation with good accuracy. Details on the numerical treatment of the large Hilbert space of the auxiliary Holstein-Anderson impurity problem are provided. Benchmarks with a numerically exact strong-coupling continuous-time quantum-Monte Carlo solver show better convergence behavior of the exact diagonalization in the deep insulator. Special attention is given to possible effects due to the discretization of the bosonic bath. We discuss the quality of real axis spectra and address the question of screening in the Mott insulator within extended dynamical mean-field theory.

cond-mat.str-el↗

arXiv2017

Magnetism of coupled spin tetrahedra in ilinskite-type KCu$_{5}$O$_2$(SeO$_3$)$_2$Cl$_3$

Synthesis, thermodynamic properties, and microscopic magnetic model of ilinskite-type KCu$_{5}$O$_2$(SeO$_3$)$_2$Cl$_3$ built by corner-sharing Cu$_4$ tetrahedra are reported, and relevant magnetostructural correlations are discussed. Quasi-one-dimensional magnetic behavior with the short-range order around 50\,K and the absence of long-range order down to at least 2\,K is observed experimentally and explained in terms of weakly coupled spin ladders (tubes) with a complex topology formed upon fragmentation of the tetrahedral network. This fragmentation is rooted in the non-trivial effect of the SeO$_3$ groups that render the Cu--O--Cu superexchange strongly ferromagnetic.

cond-mat.mtrl-sci↗

arXiv2016

Valence fluctuations and empty-state resonance for Fe adatom on a surface

We report on the formation of the high-energy empty-state resonance in the electronic spectrum of the iron adatom on the Pt(111) surface. By using the combination of the first-principles methods and the finite-temperature exact diagonalization approach, we show that the resonance is the result of the valence fluctuations between atomic configurations of the impurity. Our theoretical finding is fully confirmed by the results of the scanning tunneling microscopy measurements [M.F. Crommie et al., Phys. Rev. B 48, 2851 (1993)]. In contrast to the previous theoretical results obtained by using local spin density approximation, the paramagnetic state of the impurity in the experiment is naturally reproduced within our approach. This opens a new way for interpretation of STM data collected earlier for metallic surface nanosystems with iron impurities.

cond-mat.str-el↗

arXiv2013

Magnetic frustration in BaCuSi2O6 released

Han Purple (BaCuSi2O6) is not only an ancient pigment, but also a valuable model material for studying Bose-Einstein condensation (BEC) of magnons in high magnetic fields. Using precise low-temperature structural data and extensive density-functional calculations, we elucidate magnetic couplings in this compound. The resulting magnetic model comprises two types of nonequivalent spin dimers, in excellent agreement with the (63,65)Cu nuclear magnetic resonance data. We further argue that leading interdimer couplings connect the upper site of one dimer to the bottom site of the contiguous dimer, and not the upper-to-upper and bottom-to-bottom sites, as assumed previously. This finding is verified by inelastic neutron scattering data and implies the lack of magnetic frustration in BaCuSi2O6, thus challenging existing theories of the magnon BEC in this compound.

cond-mat.mtrl-sci↗